diethyl 2-propan-2-yloxybutanedioate

C11H20O5 — CID 139989245

IUPACdiethyl 2-propan-2-yloxybutanedioate
SMILESCCOC(=O)CC(OC(C)C)C(=O)OCC
InChIInChI=1S/C11H20O5/c1-5-14-10(12)7-9(16-8(3)4)11(13)15-6-2/h8-9H,5-7H2,1-4H3
InChIKeyYQVLSNCFQVWSQO-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.30
Rot. Bonds7

About diethyl 2-propan-2-yloxybutanedioate

diethyl 2-propan-2-yloxybutanedioate (PubChem CID 139989245) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is diethyl 2-propan-2-yloxybutanedioate.

Molecular Properties

Compound Namediethyl 2-propan-2-yloxybutanedioate
PubChem CID139989245
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namediethyl 2-propan-2-yloxybutanedioate
SMILESCCOC(=O)CC(OC(C)C)C(=O)OCC
InChIInChI=1S/C11H20O5/c1-5-14-10(12)7-9(16-8(3)4)11(13)15-6-2/h8-9H,5-7H2,1-4H3
InChIKeyYQVLSNCFQVWSQO-UHFFFAOYSA-N
XLogP1.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R)-4-methyl-2-propan-2-yloxypentanoate
CID 89114303
ethyl 2-fluoro-2-propan-2-yloxyacetate
CID 79357119
ethyl (3R)-3-methylpentanoate
CID 7567160
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
tetraethyl pentane-1,2,4,5-tetracarboxylate
CID 12576810
diethyl 2-ethyl-3-methylpentanedioate
CID 13403909
diethyl 3-hydroxy-2-methylpentanedioate
CID 22022909
ethyl 3-carbamoyloxybutanoate
CID 88785770
diethyl 2-isocyanobutanedioate
CID 4984859
ethyl 2-propan-2-yloxy-3-pyridin-4-ylpropanoate
CID 22494133
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228

Frequently Asked Questions

What is the IUPAC name of diethyl 2-propan-2-yloxybutanedioate?
The IUPAC name of diethyl 2-propan-2-yloxybutanedioate (CID 139989245) is diethyl 2-propan-2-yloxybutanedioate.
What is the SMILES notation for diethyl 2-propan-2-yloxybutanedioate?
The canonical SMILES for diethyl 2-propan-2-yloxybutanedioate is CCOC(=O)CC(OC(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-propan-2-yloxybutanedioate?
The InChIKey is YQVLSNCFQVWSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-5-14-10(12)7-9(16-8(3)4)11(13)15-6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of diethyl 2-propan-2-yloxybutanedioate?
diethyl 2-propan-2-yloxybutanedioate has a molecular weight of 232.28 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-propan-2-yloxybutanedioate is sourced from PubChem (CID 139989245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).